Re: Constant Velocity Pulls

From: Brian Radak (brian.radak_at_gmail.com)
Date: Fri Feb 22 2019 - 13:06:09 CST

Hi Kelly,

Unfortunately, I think this is a question much better answered by the
literature than by anyone particular on the listserv.

One thing you might consider is the new RAMD
<http://www.ks.uiuc.edu/Research/namd/2.13/features.html> feature in NAMD
2.13 (look at the bottom of the feature summaries).

HTH,
BKR

On Fri, Feb 22, 2019 at 11:00 AM McGuire, Kelly <mcg05004_at_byui.edu> wrote:

> I keep being told that I should resist using constant velocity SMD when
> looking for ligand/protein separation leaving times, but with no
> explanation. Why can't I use constant velocity pulling to compare leaving
> times for different ligands in a protein?
>
>
>
> *Kelly L. McGuire*
>
> *PhD Candidate*
>
> *Biophysics*
>
> *Department of Physiology and Developmental Biology*
>
> *Brigham Young University*
>
> *LSB 3050*
>
> *Provo, UT 84602*
>
>
>

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